7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one

C13H11ClFNO3 — CID 88774052

IUPAC7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one
SMILESCCOC1C(=O)c2cc(F)c(Cl)cc2N(C)C1=C=O
InChIInChI=1S/C13H11ClFNO3/c1-3-19-13-11(6-17)16(2)10-5-8(14)9(15)4-7(10)12(13)18/h4-5,13H,3H2,1-2H3
InChIKeyPLAWQCBWONXAOM-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.23
Rot. Bonds2

About 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one

7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one (PubChem CID 88774052) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one
PubChem CID88774052
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one
SMILESCCOC1C(=O)c2cc(F)c(Cl)cc2N(C)C1=C=O
InChIInChI=1S/C13H11ClFNO3/c1-3-19-13-11(6-17)16(2)10-5-8(14)9(15)4-7(10)12(13)18/h4-5,13H,3H2,1-2H3
InChIKeyPLAWQCBWONXAOM-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one?
The IUPAC name of 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one (CID 88774052) is 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one.
What is the SMILES notation for 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one?
The canonical SMILES for 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one is CCOC1C(=O)c2cc(F)c(Cl)cc2N(C)C1=C=O.
What is the InChIKey of 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one?
The InChIKey is PLAWQCBWONXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-3-19-13-11(6-17)16(2)10-5-8(14)9(15)4-7(10)12(13)18/h4-5,13H,3H2,1-2H3.
What are the key properties of 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one?
7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one has a molecular weight of 283.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethoxy-6-fluoro-1-methyl-2-(oxomethylidene)quinolin-4-one is sourced from PubChem (CID 88774052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).